Glycoside
GD005502
Name:
NoneFormula:
C16H23O4N6SSmiles:
C[S+](C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C1C=CC(ON)C1Aglycone:
C[S+](C)C1C=CC(ON)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.47 | Num_heavy_atoms: | 27 |
| TPSA: | 154.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD02753
Formula: C7H14ONS
Smiles:
C[S+](C)C1C=CC(ON)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.26 | Num_heavy_atoms: | 10 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
